6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid

C12H22N2O3 — CID 66010231

IUPAC6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
SMILESNC1CCC(C(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c13-10-6-5-9(8-10)12(17)14-7-3-1-2-4-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyFTJILTONGNXZMR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.88
Rot. Bonds7

About 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid

6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid (PubChem CID 66010231) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
PubChem CID66010231
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
SMILESNC1CCC(C(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c13-10-6-5-9(8-10)12(17)14-7-3-1-2-4-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyFTJILTONGNXZMR-UHFFFAOYSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
4-amino-N-(5-amino-5-oxopentyl)cyclohexane-1-carboxamide
CID 106235907
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
CID 120524056
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447

Frequently Asked Questions

What is the IUPAC name of 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid (CID 66010231) is 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid is NC1CCC(C(=O)NCCCCCC(=O)O)C1.
What is the InChIKey of 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid?
The InChIKey is FTJILTONGNXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-10-6-5-9(8-10)12(17)14-7-3-1-2-4-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid?
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid is sourced from PubChem (CID 66010231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).